CID 7016833

(3s)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CN=C(C=C1)OC
InChI
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-10(7-12(17)18)9-5-6-11(20-4)15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKey
WAZLXMQVYNXDQH-JTQLQIEISA-N
Compound name
(3S)-3-(6-methoxypyridin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 167.9
[M+Na]+ 319.12642 172.8
[M-H]- 295.12992 168.7
[M+NH4]+ 314.17102 180.8
[M+K]+ 335.10036 172.4
[M+H-H2O]+ 279.13446 160.7
[M+HCOO]- 341.13540 186.1
[M+CH3COO]- 355.15105 202.3
[M+Na-2H]- 317.11187 170.3
[M]+ 296.13665 171.1
[M]- 296.13775 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.